Vitas-M small molecule compound
1-benzyl-8,8-dimethyl-5-(4-methylphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Catalog ID
STK981196
SMILES Cc1ccc(cc1)C1C2=C(Nc3c1c(=O)[nH]c(=O)n3Cc1ccccc1)CC(CC2=O)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H27N3O3 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3/c1-16-9-11-18(12-10-16)21-22-19(13-27(2,3)14-20(22)31)28-24-23(21)25(32)29-26(33)30(24)15-17-7-5-4-6-8-17/h4-12,21,28H,13-15H2,1-3H3,(H,29,32,33)InChIKey
HOSDXXFGKGVPBI-UHFFFAOYSA-NSynonyms
1benzyl88dimethyl5(4methylphenyl)57910tetrahydropyrimido(45b)quinoline246trione
1benzyl88dimethyl5(4methylphenyl)58910tetrahydropyrimido(45b)quinoline246(1H3H7H)trione
CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)NC(=O)N4CC5=CC=CC=C5
Cc1ccc(cc1)C1C2=C(Nc3c1c(=O)(nH)c(=O)n3Cc1ccccc1)CC(CC2=O)(C)C
InChI=1SC27H27N3O3c11691118(121016)212219(1327(23)1420(22)31)282423(21)25(32)2926(33)30(24)15177546817h4122128H1315H213H3(H293233)
MFCD18181283
ZINC000044974000
ZINC000044974005
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